Basic information
- CAS
57543-81-4- Standard SMILES
COc1ccc2c(c1)C=C([N+](=O)[O-])C(C)O2- InChIKey
RUPZVYKLQQEGAZ-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- 2H-1-Benzopyran, 6-methoxy-2-methyl-3-nitro-
- IUPAC
- 6-methoxy-2-methyl-3-nitro-2H-chromene
- English name
- 6-Methoxy-2-methyl-3-nitro-2H-1-benzopyran
- Molecular formula
- C11H11NO4
- Molecular weight
- 221.21
Names & synonyms
6-Methoxy-2-methyl-3-nitro-2H-1-benzopyranBRN 14295652H-1-BENZOPYRAN, 6-METHOXY-2-METHYL-3-NITRO-DTXSID609731055-17-04-00245 (Beilstein Handbook Reference)RefChem:268120DTXCID40140056257543-81-4DB-296592
Database identifiers
- CAS
57543-81-4- PubChem CID
- 42448
- DTXSID
DTXSID60973105- Nikkaji
- J132.090D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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